N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C26H27N3O4S — CID 33033292

IUPACN-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19(2)18-25(30)27-22-12-14-23(15-13-22)28-26(31)21-8-10-24(11-9-21)29-34(32,33)17-16-20-6-4-3-5-7-20/h3-17,19,29H,18H2,1-2H3,(H,27,30)(H,28,31)/b17-16+
InChIKeyFJEKUDVRDIJCTB-WUKNDPDISA-N
MW477.59 g/mol
LogP5.34
Rot. Bonds9

About N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 33033292) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID33033292
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19(2)18-25(30)27-22-12-14-23(15-13-22)28-26(31)21-8-10-24(11-9-21)29-34(32,33)17-16-20-6-4-3-5-7-20/h3-17,19,29H,18H2,1-2H3,(H,27,30)(H,28,31)/b17-16+
InChIKeyFJEKUDVRDIJCTB-WUKNDPDISA-N
XLogP5.34
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
ethyl 4-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]benzoate
CID 24640952
N-(4-ethoxyphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24638590
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
4-(3-methylbutanoylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234592
N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]-4-(3-methylbutanoylamino)benzamide
CID 6117901
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
4-(3-methylbutanoylamino)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6117811
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
N-(1-methylpyrazol-3-yl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 17480120

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 33033292) is N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is FJEKUDVRDIJCTB-WUKNDPDISA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-19(2)18-25(30)27-22-12-14-23(15-13-22)28-26(31)21-8-10-24(11-9-21)29-34(32,33)17-16-20-6-4-3-5-7-20/h3-17,19,29H,18H2,1-2H3,(H,27,30)(H,28,31)/b17-16+.
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 477.59 g/mol, XLogP of 5.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 33033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).